Overview
The FreeTreeMiner (FTM) software computes all subtrees (substructures) occuring at a given minimum frequency in a set of molecules. The subtrees are built via a depth first search (DFS). Additionally to the minimum frequency support, a maximum frequency constraint can be set. This constraint can either refer to the same database/set or to a second one, meaning that all subtrees frequent in the first and infrequent in the second one are returned by FTM.
The frequent subgraphs are returned as SMARTS strings together with their occurences in the data set.
More detail:
http://wwwkramer.in.tum.de/research/data_mining/pattern_mining/graph_mining
- Subproject of: OpenTox
- Data: No
- Software: Yes
- Programming language: C++
- Operating system: linux
- Dependencies: OpenBabel
- Interface: command line
- Inter-process communication: File IO
- Input format: SDF
- Output format: txt, ARFF
Issue tracking
- Deliverables: 0 open on 0
- Bugs: 0 open on 0
- Features: 0 open on 0
- Tests: 0 open on 0
Members
Workpackage leaders:
Stefan Kramer
Consortium members:
Fabian Buchwald, Tobias Girschick, Lothar Richter